chempirical

N-Benzoyl-dl-phenylalanine β-naphthyl ester

C26H21NO3CAS 2134-24-9395.46 g/mol

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OONHO
Ester

Properties

Molecular formula
C26H21NO3
Molar mass
395.46 g/mol
Exact mass
395.1521 Da
Melting point
156–157 °C
logP
5.36Crippen estimate
Polar surface area
58.9 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
6

Identifiers

CAS number
2134-24-9
SMILES
O=C(Oc1ccc2ccccc2c1)C(Cc1ccccc1)N=C(O)c1ccccc1
InChIKey
NPPKNSHRAVHLHD-UHFFFAOYSA-N
InChI
InChI=1S/C26H21NO3/c28-25(21-12-5-2-6-13-21)27-24(17-19-9-3-1-4-10-19)26(29)30-23-16-15-20-11-7-8-14-22(20)18-23/h1-16,18,24H,17H2,(H,27,28)

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Names and synonyms

4 names
  • Phenylalanine, N-benzoyl-, 2-naphthalenyl ester
  • Alanine, N-benzoyl-3-phenyl-, 2-naphthyl ester, DL-
  • Alanine, N-benzoyl-3-phenyl-, 2-naphthyl ester
  • 2-Naphthol, ester with N-benzoyl-3-phenyl-DL-alanine

Work with N-Benzoyl-dl-phenylalanine β-naphthyl ester

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Benzoyl-L-phenylalanine2566-22-554 % similar N-Benzoyl-dl-phenylalanine2901-76-054 % similar N-Benzoyl-L-tyrosine ethyl ester3483-82-751 % similar β-Naphthyl benzoate93-44-748 % similar N-[(Phenylmethoxy)carbonyl]-L-phenylalanine 4-nitrophenyl ester2578-84-947 % similar N-(tert-Butoxycarbonyl)-L-phenylalanine P-nitrophenyl ester7535-56-045 % similar N-[(Phenylmethoxy)carbonyl]-L-tyrosine 4-nitrophenyl ester3556-56-743 % similar (αR)-α-(Acetylamino)-2-naphthalenepropanoic acid37440-01-041 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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